E852-4754 Screening compound: N2-[(4-butoxyphenyl)methyl]-5-butyl-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

E852-4754 Screening compound: N2-[(4-butoxyphenyl)methyl]-5-butyl-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
E852-4754 Screening compound: N2-[(4-butoxyphenyl)methyl]-5-butyl-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E852-4754
N2-[(4-butoxyphenyl)methyl]-5-butyl-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E852-4754

Molecular Formula

C29H41N5O4 (C29 H41 N5 O4)

Compound Name

N2-[(4-butoxyphenyl)methyl]-5-butyl-N6-cyclopentyl-6-methyl-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

IUPAC name

N2-[(4-butoxyphenyl)methyl]-5-butyl-N6-cyclopentyl-6-methyl-4-oxo-4H5H6H7H-pyrazolo[15-a]pyrazine-26-dicarboxamide

SMILES

CCCCN(C(C)(Cn(c1c2)nc2C(NCc(cc2)ccc2OCCCC)=O)C(NC2CCCC2)=O)C1=O

InChI

InChI=1S/C29H41N5O4/c1-4-6-16-33-27(36)25-18-24(26(35)30-19-21-12-14-23(15-13-21)38-17-7-5-2)32-34(25)20-29(33,3)28(37)31-22-10-8-9-11-22/h12-15,18,22H,4-11,16-17,19-20H2,1-3H3,(H,30,35)(H,31,37)/t29-/m0/s1

InChI Key

ICMARHCHHYDDML-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD14922389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.809

Water Solubility, LogSw

-4.40

Polar Surface Area

85.917

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.60

E852-4754 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with E852-4754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E852-4754?
Check Price and Availability of E852-4754, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E852-4754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E852-4754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E852-4754
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E852-4754 available by request